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Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Histone deacetylase 3 | ||
| Ligand | BDBM50568215 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2104802 (CHEMBL4813305) | ||
| IC50 | 0.130000±n/a nM | ||
| Citation |  Yu, W; Fells, J; Clausen, D; Liu, J; Klein, DJ; Christine Chung, C; Myers, RW; Wu, J; Wu, G; Howell, BJ; Barnard, RJO; Kozlowski, J Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg Med Chem Lett47:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Histone deacetylase 3 | |||
| Name: | Histone deacetylase 3 | ||
| Synonyms: | HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 48829.55 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O15379 | ||
| Residue: | 428 | ||
| Sequence: |
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| BDBM50568215 | |||
| n/a | |||
| Name | BDBM50568215 | ||
| Synonyms: | CHEMBL4878197 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H53N5O4 | ||
| Mol. Mass. | 643.8585 | ||
| SMILES | CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(-c4cnc1[nH]4)c(OC)cc3c2=O |r,wU:13.12,wD:9.8,(81.04,-4.01,;79.64,-3.37,;78.4,-4.27,;78.53,-5.8,;77,-3.63,;75.75,-4.52,;74.35,-3.88,;73.09,-4.76,;71.71,-4.12,;70.45,-5.02,;70.6,-6.54,;71.99,-7.19,;73.24,-6.29,;72.15,-8.71,;73.03,-9.95,;71.5,-10.1,;70.13,-9.31,;68.77,-10.1,;68.77,-11.67,;70.13,-12.47,;71.52,-11.68,;67.37,-12.47,;65.99,-11.67,;64.6,-12.47,;63.21,-11.22,;61.32,-11.48,;59.29,-7.36,;57.73,-6.26,;58.02,-4.74,;59.54,-4.15,;60.03,-2.67,;61.55,-2.37,;62.58,-3.53,;64.07,-3.25,;65.09,-4.4,;66.6,-4.1,;67.23,-2.7,;68.76,-2.88,;69.06,-4.38,;67.72,-5.13,;64.6,-5.85,;65.62,-7,;65.13,-8.45,;63.1,-6.16,;62.08,-5.01,;60.56,-5.31,;60.05,-6.83,)| | ||
| Structure | 
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